SCHEMBL29184911

SCHEMBL29184911

C#CC(O)(CO)c1ccc(Cl)cc1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 2/20 0.43
▸ MEN1 O00255 2/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ MAPK1 P28482 1/20 0.43
▸ HIF1A Q16665 1/20 0.43
▸ CYP19A1 P11511 4/20 0.38
▸ NPSR1 Q6W5P4 2/20 0.38
▸ MIF P14174 1/20 0.37
▸ BCL2 P10415 1/20 0.36
▸ CYP3A4 P08684 2/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ TDP1 Q9NUW8 1/20 0.35
▸ HTT P42858 1/20 0.34
▸ POLB P06746 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ CYP3A5 P20815 1/20 0.34

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL29184918 0.80 TSHR (0.38) TSHRMEN1KMT2ACYP19A1CYP3A4
SCHEMBL29184899 0.79 CYP2C19 (0.39) TSHRMEN1KMT2AMAPK1HIF1A
SCHEMBL11478446 0.78 MEN1 (0.42) TSHRMEN1KMT2AMAPK1HIF1A
SCHEMBL29184892 0.77 CYP2C9 (0.44) TSHRHTT
SCHEMBL29184926 0.76 AOC3 (0.42) MAPK1NPSR1MIFMAPTTDP1
SCHEMBL11480119 0.75 MEN1 (0.40) TSHRMEN1KMT2AMAPK1HIF1A
SCHEMBL11480978 0.74 MEN1 (0.39) TSHRMEN1KMT2AMAPK1HIF1A
SCHEMBL612020 0.74 MEN1 (0.50) TSHRMEN1KMT2AMAPK1HIF1A
SCHEMBL11492645 0.73 POLB (0.43) TSHRMEN1KMT2AMAPK1HIF1A
SCHEMBL11480164 0.72 MEN1 (0.37) TSHRMEN1KMT2ANPSR1BCL2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117603436-A Polymer, modified polyurethane elastomer and preparation method thereof 北京大学 2024-02-27 — — CN disclosed
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